Interactions of amino acids with H-ZSM-5 zeolite: An embedded ONIOM study

Journal of Molecular Structure

Volumn 889, Issue 1-3, 2008, Pages 81-88

  Boekfa, Bundet ^a   Pantu, Piboon ^a,b   Limtrakul, Jumras ^a,b  

^a Faculty of Engineering   (Thailand)

^b KASETSART UNIVERSITY   (Thailand)

Author keywords

Adsorption of amino acid; Confinement effect; QM MM; Zeolites

Indexed keywords

ACIDS; ADSORPTION; AMINATION; AMINES; AMINO ACIDS; CHLORINE COMPOUNDS; DYES; FLOW INTERACTIONS; HYDROGEN; NONMETALS; ORGANIC ACIDS; OXYGEN; VAN DER WAALS FORCES;

ACID SITES; ACID-BASE REACTIONS; ADSORPTION ENERGIES; ADSORPTION OF AMINO ACID; CARBOXYL GROUPS; CONFINEMENT EFFECT; H-ZSM-5; H-ZSM-5 ZEOLITE; HYDROGEN-BONDED COMPLEXES; HYDROXYL GROUPS; ION-PAIR INTERACTIONS; L-ALANINE; MP2/6 31G (D; NA-ZSM-5; PROTONATED; QM/MM; SOLID SOLVENTS; STABLE ADSORPTION; VAN DER WAALS INTERACTIONS; WEAK INTERACTIONS; ZEOLITE ACID; ZEOLITE FRAMEWORK; ZEOLITES;

GAS ADSORPTION;

EID: 53049091111     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2008.01.026     Document Type: Article

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